Vitas-M small molecule compound
(5-bromofuran-2-yl)[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
Catalog ID
STK231614
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(o1)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H16BrN3O5 MW 410.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrN3O5/c1-24-11-2-3-12(13(10-11)20(22)23)18-6-8-19(9-7-18)16(21)14-4-5-15(17)25-14/h2-5,10H,6-9H2,1H3InChIKey
PJBLEEAPYFIOQH-UHFFFAOYSA-NSynonyms
(5bromofuran2yl)(4(4methoxy2nitrophenyl)piperazin1yl)methanone
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)Br)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccc(o1)Br
InChI=1SC16H16BrN3O5c124112312(13(1011)20(22)23)186819(9718)16(21)144515(17)2514h2510H69H21H3
MFCD05850053
ZINC000004736777
ZINC04736777
ZINC4736777
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